Geometry & MOs

Info

ID:	384552
PubChem CID:	134977209
Reduced:	ClFHNC5 (1)
Stoich.:	ABCDE5 (1)
Weight, g/mol:	254.10955
ΔH_f, kcal/mol:	100.25
Dipole, Da:	1.61
IP(EA), eV:	-10.21(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethylidene-6-phenylhexa-1,5-diynyl)benzene

Drug info:

PubChemData

Smile

C1=C(C#CC(=N1)F)Cl

DOS

IR

Vibrations